ChEBI logo

ChEBI


    The database and ontology of Chemical Entities of Biological Interest

spacer

bithionol (CHEBI:3131)

Search for only All in ChEBI

Main     ChEBI Ontology     Automatic Xrefs      
ChEBI Name bithionol
ChEBI ID CHEBI:3131
Definition Diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula Source
C12H6Cl4O2S KEGG COMPOUND
Net Charge 0
Average Mass 356.05164
InChI
InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey
JFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Roles Classification
Biological Role(s): bridged diphenyl fungicide
Any member of the class of fungicides whose members contain two phenyl (or substituted phenyl) groups attached to a single carbon or heteratom.
Application(s): antiplatyhelmintic drug
An agent used to treat cestode, trematode, or other flatworm infestations in man or animals.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
bridged diphenyl fungicide
Any member of the class of fungicides whose members contain two phenyl (or substituted phenyl) groups attached to a single carbon or heteratom.
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing bithionol (CHEBI:3131) has role agrochemical (CHEBI:33286)
bithionol (CHEBI:3131) has role antiplatyhelmintic drug (CHEBI:35684)
bithionol (CHEBI:3131) has role bridged diphenyl fungicide (CHEBI:60644)
bithionol (CHEBI:3131) is a aryl sulfide (CHEBI:35683)
bithionol (CHEBI:3131) is a organochlorine pesticide (CHEBI:38656)
IUPAC Name
2,2'-sulfanediylbis(4,6-dichlorophenol)
Synonyms Sources
2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide ChemIDplus
2,2'-Thiobis(4,6-dichlorophenol) ChEBI
2-Hydroxy-3,5-dichlorophenyl sulfide ChemIDplus
Bis(3,5-dichloro-2-hydroxyphenyl) sulfide ChemIDplus
Bithin NIST Chemistry WebBook
Bithionol KEGG COMPOUND
Bithionol sulfide ChemIDplus
Database Links Databases
B1T PDBeChem
Bithionol Wikipedia
C07967 KEGG COMPOUND
D00802 KEGG DRUG
DB04813 DrugBank
View more database links
Registry Numbers Types Sources
2003535 Beilstein Registry Number Beilstein
97-18-7 CAS Registry Number NIST Chemistry WebBook
97-18-7 CAS Registry Number ChemIDplus
Last Modified
28 July 2014

spacer
spacer